SCHEMBL17687651

SCHEMBL17687651

COc1cccc(-c2c(-c3cccc(OC)c3)c3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.46
▸ NR1I2 O75469 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ VDR P11473 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2B6 P20813 1/20 0.45
▸ AHR P35869 1/20 0.45
▸ NR1I3 Q14994 1/20 0.45
▸ MAPK13 O15264 1/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ MAPK12 P53778 1/20 0.43
▸ MAPK11 Q15759 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ DCUN1D1 Q96GG9 1/20 0.43
▸ PIN1 Q13526 1/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ DYRK1A Q13627 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2948398 0.86 STAT3 (0.60) AURKANR1I2CYP1A2VDRCYP2C9
SCHEMBL17687652 0.85 STAT3 (0.57) AURKANR1I2CYP1A2VDRCYP2C9
SCHEMBL2948397 0.84 AURKA (0.44) AURKANR1I2CYP1A2VDRCYP2C9
SCHEMBL585528 0.83 STAT3 (0.62) AURKANR1I2CYP1A2VDRCYP2C9
SCHEMBL31055740 0.83 STAT3 (0.62) AURKANR1I2CYP1A2VDRCYP2C9
SCHEMBL226837 0.79 STAT3 (0.59) CYP1A2CYP2C9MAPK13RAF1MAPK12
Anisole SCHEMBL28270507 0.79 CA4 (0.48) NR1I2CYP1A2VDRCYP2C9CYP2B6
SCHEMBL1945085 0.78 STAT3 (0.49) AURKAMAPK13RAF1MAPK12MAPK11
SCHEMBL6265476 0.78 STAT3 (0.57) CYP1A2CYP2C9MAPK13RAF1MAPK12
SCHEMBL14054511 0.78 STAT3 (0.57) CYP1A2CYP2C9MAPK13RAF1MAPK12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3206987-B2 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF UNIV CHICAGO (US) 2024-07-24 — — EP disclosed
US-10806694-B2 Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, radiodynamic therapy, chemotherapy, immunotherapy, and any combination thereof THE UNIVERSITY OF CHICAGO (US) 2020-10-20 — — US disclosed
US-10780045-B2 Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, chemotherapy, immunotherapy, and any combination thereof THE UNIVERSITY OF CHICAGO (US) 2020-09-22 — — US disclosed
EP-3206987-B1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF UNIV CHICAGO (US) 2020-07-01 — — EP disclosed
CN-110731961-A Metal organic framework, pharmaceutical preparation and use thereof in preparing medicament 芝加哥大学 2020-01-31 — — CN disclosed
US-20190209460-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF THE UNIVERSITY OF CHICAGO 2019-07-11 — — US disclosed
US-10206871-B2 Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, chemotherapy, immunotherapy, and any combination thereof THE UNIVERSITY OF CHICAGO (US) 2019-02-19 — — US disclosed
US-20180153796-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, RADIODYNAMIC THERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF THE UNIVERSITY OF CHICAGO 2018-06-07 — — US disclosed
EP-3206987-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF The University of Chicago (US) 2017-08-23 — — EP disclosed
US-20170231903-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF THE UNIVERSITY OF CHICAGO (US) 2017-08-17 — — US disclosed
WO-2016061256-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF THE UNIVERSITY OF CHICAGO (US) 2016-04-21 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10206871-B2 Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, chemotherapy, immunotherapy, and any combination thereof CD274, PDCD1, PDCD1LG2 AURKA 924/4885NR1I2 3988/4885CYP1A2 4530/4885
US-20190209460-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF CD274, PDCD1, PDCD1LG2 AURKA 860/4885NR1I2 4016/4885CYP1A2 4492/4885
US-10780045-B2 Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, chemotherapy, immunotherapy, and any combination thereof CD274, PDCD1, PDCD1LG2 AURKA 860/4885NR1I2 4016/4885CYP1A2 4492/4885
US-10806694-B2 Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, radiodynamic therapy, chemotherapy, immunotherapy, and any combination thereof CD274, PDCD1, PDCD1LG2 AURKA 788/4885NR1I2 3381/4885CYP1A2 4677/4885
US-20180153796-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, RADIODYNAMIC THERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF CD274, PDCD1, PDCD1LG2 AURKA 788/4885NR1I2 3381/4885CYP1A2 4677/4885
US-20170231903-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF CD274, PDCD1, PDCD1LG2 AURKA 924/4885NR1I2 3988/4885CYP1A2 4530/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback